CID 50998802

2-(2-ethynylphenyl)acetonitrile

Structural Information

Molecular Formula
C10H7N
SMILES
C#CC1=CC=CC=C1CC#N
InChI
InChI=1S/C10H7N/c1-2-9-5-3-4-6-10(9)7-8-11/h1,3-6H,7H2
InChIKey
VDVFSYRSXPIWFX-UHFFFAOYSA-N
Compound name
2-(2-ethynylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.05785 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06513 144.2
[M+Na]+ 164.04707 155.1
[M-H]- 140.05057 147.3
[M+NH4]+ 159.09167 158.5
[M+K]+ 180.02101 150.3
[M+H-H2O]+ 124.05511 130.2
[M+HCOO]- 186.05605 156.1
[M+CH3COO]- 200.07170 207.3
[M+Na-2H]- 162.03252 147.5
[M]+ 141.05730 136.0
[M]- 141.05840 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.